2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene

C28H18O2S3 — CID 170560290

IUPAC2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene
SMILESO=S(=O)(c1c(-c2ccccc2)sc2ccccc12)c1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C28H18O2S3/c29-33(30,27-21-15-7-9-17-23(21)31-25(27)19-11-3-1-4-12-19)28-22-16-8-10-18-24(22)32-26(28)20-13-5-2-6-14-20/h1-18H
InChIKeyHCHUPNJJZJGFEZ-UHFFFAOYSA-N
MW482.65 g/mol
LogP8.28
Rot. Bonds4

About 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene

2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene (PubChem CID 170560290) has the molecular formula C28H18O2S3 and a molecular weight of 482.65 g/mol. Its IUPAC name is 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene.

Molecular Properties

Compound Name2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene
PubChem CID170560290
Molecular FormulaC28H18O2S3
Molecular Weight482.65 g/mol
Exact Mass482.05
IUPAC Name2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene
SMILESO=S(=O)(c1c(-c2ccccc2)sc2ccccc12)c1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C28H18O2S3/c29-33(30,27-21-15-7-9-17-23(21)31-25(27)19-11-3-1-4-12-19)28-22-16-8-10-18-24(22)32-26(28)20-13-5-2-6-14-20/h1-18H
InChIKeyHCHUPNJJZJGFEZ-UHFFFAOYSA-N
XLogP8.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)sulfonyl-2-phenyl-1-benzothiophene
CID 22768855
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
3-fluoro-2-phenylthiochromen-4-one
CID 11097189
3-methylsulfanyl-2-phenyl-1-benzothiophene
CID 15572646
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659
3-diphenylphosphoryl-2-phenylthiochromen-4-one
CID 162409367
2-phenyl-3-[(1S)-1-phenylethyl]-1-benzothiophene
CID 134837415
N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide
CID 16639892
sodium 2-carboxy-1-benzothiophene-3-sulfonate
CID 23714405
N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
CID 21315894
2-chloro-N-(2-phenyl-1-benzothiophen-3-yl)acetamide
CID 16639877

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene?
The IUPAC name of 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene (CID 170560290) is 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene.
What is the SMILES notation for 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene?
The canonical SMILES for 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene is O=S(=O)(c1c(-c2ccccc2)sc2ccccc12)c1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene?
The InChIKey is HCHUPNJJZJGFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O2S3/c29-33(30,27-21-15-7-9-17-23(21)31-25(27)19-11-3-1-4-12-19)28-22-16-8-10-18-24(22)32-26(28)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene?
2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene has a molecular weight of 482.65 g/mol, XLogP of 8.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene is sourced from PubChem (CID 170560290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).